4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one

C24H25NO7 — CID 108657853

About 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (PubChem CID 108657853) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
• PubChem CID: 108657853
• Molecular Formula: C24H25NO7
• Molecular Weight: 439.46 g/mol
• Exact Mass: 439.16
• IUPAC Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)C3c3ccc(C)o3)oc12
• InChI: InChI=1S/C24H25NO7/c1-13(2)30-11-10-25-20(16-9-8-14(3)31-16)19(22(27)24(25)28)21(26)18-12-15-6-5-7-17(29-4)23(15)32-18/h5-9,12-13,20,27H,10-11H2,1-4H3
• InChIKey: JIFBABLUUIAJJG-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 102.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.46
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (CID 108657853) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)C3c3ccc(C)o3)oc12.

What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?

The InChIKey is JIFBABLUUIAJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-13(2)30-11-10-25-20(16-9-8-14(3)31-16)19(22(27)24(25)28)21(26)18-12-15-6-5-7-17(29-4)23(15)32-18/h5-9,12-13,20,27H,10-11H2,1-4H3.

What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one has a molecular weight of 439.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108657853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).